Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2265552 | 0.76 | TSHR (0.32) | TSHRALDH1A1 | |
| SCHEMBL9146022 | 0.70 | LMNA (0.42) | TSHRALDH1A1TDP1 | |
| SCHEMBL9452595 | 0.69 | TSHR (0.44) | TSHRALDH1A1TDP1 | |
| Ether SCHEMBL6243328 | 0.69 | — | — | |
| Ether SCHEMBL27596843 | 0.69 | TSHR (0.44) | TSHRALDH1A1 | |
| Ether SCHEMBL29265951 | 0.69 | TSHR (0.44) | TSHRALDH1A1 | |
| SCHEMBL9030388 | 0.69 | — | — | |
| Ether SCHEMBL502338 | 0.67 | — | — | |
| SCHEMBL10952518 | 0.67 | ALDH1A1 (0.36) | TSHRALDH1A1 | |
| SCHEMBL14733092 | 0.67 | ALDH1A1 (0.39) | TSHRALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7713401-B2 | Methods for performing electrochemical nitration reactions | BATTELLE ENERGY ALLIANCE, LLC (US) | 2010-05-11 | — | — | US | disclosed |
| US-20090038953-A1 | METHODS FOR PERFORMING ELECTROCHEMICAL NITRATION REACTIONS | ENERGY, UNITED STATES DEPARTMENT OF | 2009-02-12 | — | — | US | disclosed |
| WO-2009020798-A1 | METHODS FOR PERFORMING ELECTROCHEMICAL NITRATION REACTIONS | BATTELLE ENERGY ALLIANCE, LLC (US) | 2009-02-12 | — | — | WO | disclosed |